SCHEMBL4029995

SCHEMBL4029995

O=c1c(NCCc2ccc(Oc3ccc(Cl)cc3)cc2)c(Nc2cccnc2)c1=O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT4 P35916 2/20 0.64
FES P07332 1/20 0.64
FGFR1 P11362 1/20 0.64
KDR P35968 1/20 0.64
CHEK1 O14757 1/20 0.48
MAP4K4 O95819 1/20 0.48
CHEK2 O96017 1/20 0.48
PRKCG P05129 1/20 0.48
PRKACA P17612 1/20 0.48
RPS6KB1 P23443 1/20 0.48
AKT1 P31749 1/20 0.48
GSK3A P49840 1/20 0.48
GSK3B P49841 1/20 0.48
RPS6KA3 P51812 1/20 0.48
NEK4 P51957 1/20 0.48
CSNK1G2 P78368 1/20 0.48
PRKCD Q05655 1/20 0.48
PRKAA1 Q13131 1/20 0.48
PRKG2 Q13237 1/20 0.48
ROCK1 Q13464 1/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4027877 0.91 FES (0.77) FLT4FESFGFR1KDRMEN1
SCHEMBL4026559 0.89 GSK3A (0.62) FLT4FESFGFR1KDRCHEK1
SCHEMBL4026017 0.86 FLT4 (0.80) FLT4FESFGFR1KDRCHEK1
SCHEMBL4024997 0.82 FAAH (0.52) FLT4CHEK1MAP4K4CHEK2PRKCG
SCHEMBL4023522 0.80 NAMPT (0.48) FLT4FESFGFR1KDRCHEK1
SCHEMBL4026945 0.80 NAMPT (0.48) FLT4FESFGFR1KDRCHEK1
SCHEMBL4028084 0.80 FLT4 (0.60) FLT4FESFGFR1KDRCHEK1
SCHEMBL4024933 0.80 CHEK1 (0.59) FLT4CHEK1MAP4K4CHEK2PRKCG
SCHEMBL5753737 0.79 PRKACA (0.56) FLT4FESFGFR1KDRCHEK1
SCHEMBL4369721 0.79 GSK3A (0.75) FLT4FESFGFR1KDRCHEK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8450348-B2 Such as 3-[6-(4-Chloro-phenoxy)-hexylamino]-4-(pyridin-4-ylamino)-cyclobut-3-ene-1,2-dione; cancer, tumors; reduced side effects FORMA TM, LLC (US) 2013-05-28 US claimed
EP-1674457-B1 Derivatives of squaric acid with anti-proliferative activity GPC BIOTECH AG (DE) 2009-06-03 EP claimed
US-20080200523-A1 Derivatives of squaric acid with anti-proliferative activity Valo Health, LLC 2008-08-21 US claimed
EP-1674457-A1 Derivatives of squaric acid with anti-proliferative activity GPC Biotech AG (DE) 2006-06-28 EP claimed
US-8450348-B2 Such as 3-[6-(4-Chloro-phenoxy)-hexylamino]-4-(pyridin-4-ylamino)-cyclobut-3-ene-1,2-dione; cancer, tumors; reduced side effects FORMA TM, LLC (US) 2013-05-28 US disclosed
US-8450348-B2 Such as 3-[6-(4-Chloro-phenoxy)-hexylamino]-4-(pyridin-4-ylamino)-cyclobut-3-ene-1,2-dione; cancer, tumors; reduced side effects FORMA TM, LLC (US) 2013-05-28 US disclosed
US-8450348-B2 Such as 3-[6-(4-Chloro-phenoxy)-hexylamino]-4-(pyridin-4-ylamino)-cyclobut-3-ene-1,2-dione; cancer, tumors; reduced side effects FORMA TM, LLC (US) 2013-05-28 US disclosed
EP-2096107-A1 Derivatives of squaric acid with anti-proliferative activity GPC Biotech AG (DE) 2009-09-02 EP disclosed
EP-1674457-B1 Derivatives of squaric acid with anti-proliferative activity GPC BIOTECH AG (DE) 2009-06-03 EP disclosed
US-20080200523-A1 Derivatives of squaric acid with anti-proliferative activity Valo Health, LLC 2008-08-21 US disclosed
US-20080200523-A1 Derivatives of squaric acid with anti-proliferative activity Valo Health, LLC 2008-08-21 US disclosed
US-20080200523-A1 Derivatives of squaric acid with anti-proliferative activity Valo Health, LLC 2008-08-21 US disclosed
EP-1674457-A1 Derivatives of squaric acid with anti-proliferative activity GPC Biotech AG (DE) 2006-06-28 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080200523-A1 Derivatives of squaric acid with anti-proliferative activity SQLE, FDFT1, DLD FLT4 3467/4885FES 4525/4885FGFR1 182/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.